#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 -0.27 -0.24 1.61 0.15 -1.26 -5.15 113.70 108.54 1x4t s SER 2 Ca 0.00 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 1x4t s SER 2 Cb 0.00 0.45 0.13 0.00 -1.71 0.00 0.00 66.02 64.89 1x4t s SER 2 CO 0.00 -0.75 0.37 -0.55 1.20 0.00 0.00 173.24 173.51 1x4t s SER 3 N -2.37 0.31 -0.30 5.45 0.15 -1.26 -5.13 113.70 110.55 1x4t s SER 3 Ca -0.01 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 1x4t s SER 3 Cb 0.00 1.08 0.18 0.00 -1.71 0.00 0.00 66.02 65.58 1x4t s SER 3 CO -0.07 -0.30 1.17 -0.83 1.20 0.00 0.00 173.24 174.41 1x4t s GLY 4 N 2.53 0.08 -0.50 9.45 0.00 -1.26 -5.10 107.32 112.52 1x4t s GLY 4 Ca 0.12 3.40 -0.38 0.00 0.00 0.00 0.00 44.72 47.85 1x4t s GLY 4 CO -0.17 3.37 2.24 -1.26 0.00 0.00 0.00 173.10 177.28 1x4t n SER 5 N 4.77 1.27 -3.63 1.64 2.88 -1.26 -4.90 113.62 114.39 1x4t n SER 5 Ca -0.07 0.47 -0.30 0.00 -1.33 0.00 0.00 58.87 57.64 1x4t n SER 5 Cb 0.54 -1.06 0.26 0.00 -0.75 0.00 0.00 64.21 63.20 1x4t n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4t s SER 6 N 7.09 0.31 0.00 -3.46 0.01 -1.26 -5.09 113.70 111.30 1x4t s SER 6 Ca 1.17 0.62 0.00 0.00 1.31 0.00 0.00 55.95 59.05 1x4t s SER 6 Cb -1.18 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1x4t s SER 6 CO 0.56 -4.50 0.00 0.61 0.41 0.00 0.00 173.24 170.32 1x4t n GLY 7 N -0.44 5.05 3.95 3.44 0.00 -1.26 -5.15 105.19 110.78 1x4t n GLY 7 Ca 0.14 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 1x4t n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4t s LYS 8 N 2.21 3.47 -0.17 1.61 -2.85 -1.26 -5.10 119.74 117.64 1x4t s LYS 8 Ca 0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 1x4t s LYS 8 Cb 0.00 -2.84 0.05 0.00 -2.06 0.00 0.00 37.83 32.97 1x4t s LYS 8 CO 0.00 0.38 -0.03 0.08 0.10 0.00 0.00 175.35 175.88 1x4t s VAL 9 N -1.99 0.98 -0.18 1.79 1.01 -1.26 -5.12 120.40 115.63 1x4t s VAL 9 Ca 0.36 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1x4t s VAL 9 Cb -0.10 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1x4t s VAL 9 CO 0.30 0.05 0.18 -0.54 0.00 0.00 0.00 175.10 175.10 1x4t s LYS 10 N 1.68 4.12 -0.00 2.72 1.02 -1.26 -5.09 119.74 122.93 1x4t s LYS 10 Ca 0.00 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1x4t s LYS 10 Cb -0.16 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1x4t s LYS 10 CO -0.07 0.34 -0.07 -1.83 -0.92 0.00 0.00 175.35 172.80 1x4t s GLU 11 N 0.21 0.54 -0.12 1.68 1.03 -1.26 -5.15 118.70 115.64 1x4t s GLU 11 Ca 0.11 -0.27 -0.03 0.00 0.03 0.00 0.00 54.97 54.81 1x4t s GLU 11 Cb -0.12 -0.52 -0.03 0.00 -0.80 0.00 0.00 34.13 32.67 1x4t s GLU 11 CO 0.00 0.14 -0.02 0.50 -1.33 0.00 0.00 175.26 174.56 1x4t s ARG 12 N -0.25 3.31 0.38 -4.83 6.06 -1.26 -5.08 118.95 117.27 1x4t s ARG 12 Ca 0.02 -0.46 -0.28 0.00 -2.50 0.00 0.00 55.73 52.51 1x4t s ARG 12 Cb -0.03 -2.85 -0.11 0.00 0.06 0.00 0.00 34.95 32.02 1x4t s ARG 12 CO -0.00 0.49 1.50 0.50 -2.50 0.00 0.00 175.30 175.28 1x4t s ARG 13 N -0.29 4.08 0.00 5.12 3.52 -1.26 -5.01 118.95 125.11 1x4t s ARG 13 Ca 0.06 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 1x4t s ARG 13 Cb -0.12 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1x4t s ARG 13 CO 0.02 -0.57 0.00 -0.35 -0.81 0.00 0.00 175.30 173.60 1x4t n PRO 14 N 0.41 0.23 -0.00 5.12 -0.04 -1.26 -5.02 135.00 134.44 1x4t n PRO 14 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1x4t n PRO 14 Cb 0.39 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.84 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.27 0.00 -4.73 0.54 7.35 -1.26 -5.01 117.46 113.08 1x4t n PHE 15 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1x4t n PHE 15 Cb 0.00 -0.04 -0.16 0.00 0.35 0.00 0.00 39.48 39.63 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -2.95 1.85 0.22 -2.13 1.43 -1.26 -5.03 118.68 110.80 1x4t s LEU 16 Ca -0.00 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1x4t s LEU 16 Cb 0.01 -0.89 0.18 0.00 0.03 0.00 0.00 46.19 45.52 1x4t s LEU 16 CO 0.08 0.12 1.51 0.00 0.23 0.00 0.00 176.35 178.29 1x4t h ALA 17 N 6.43 0.76 -0.01 4.21 0.00 -1.93 -3.06 119.26 125.65 1x4t h ALA 17 Ca -0.32 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1x4t h ALA 17 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x4t h ALA 17 CO 0.48 0.77 -0.27 0.66 0.00 0.00 0.00 179.25 180.88 1x4t h SER 18 N 0.18 0.02 0.33 0.00 4.64 -1.96 -2.38 113.55 114.38 1x4t h SER 18 Ca -0.02 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1x4t h SER 18 Cb 1.21 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1x4t h SER 18 CO 0.10 0.29 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.60 1x4t h GLU 19 N 0.02 0.13 -5.11 4.77 4.39 -1.96 -3.38 114.58 113.44 1x4t h GLU 19 Ca 0.00 -0.06 -0.68 0.00 0.34 0.00 0.00 59.36 58.96 1x4t h GLU 19 Cb 0.49 -0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.97 1x4t h GLU 19 CO 0.04 0.54 0.76 0.00 -1.16 0.00 0.00 179.01 179.18 1x4t n THR 21 N 5.60 1.56 -3.83 0.00 -2.24 -1.26 -4.81 114.28 109.31 1x4t n THR 21 Ca 0.17 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1x4t n THR 21 Cb 0.48 -0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 67.87 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -1.28 3.43 0.07 -0.78 8.01 -1.26 -5.00 118.70 121.90 1x4t s GLU 22 Ca 0.20 -0.61 -0.24 0.00 0.01 0.00 0.00 54.97 54.33 1x4t s GLU 22 Cb 0.16 -3.18 -0.16 0.00 -4.31 0.00 0.00 34.13 26.64 1x4t s GLU 22 CO 0.04 -0.23 1.65 1.25 0.01 0.00 0.00 175.26 177.98 1x4t h LEU 23 N 8.18 -0.04 0.00 1.80 5.85 -1.93 -1.60 115.31 127.57 1x4t h LEU 23 Ca -0.39 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1x4t h LEU 23 Cb 1.16 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1x4t h LEU 23 CO 0.59 0.05 0.00 -0.81 -0.34 0.00 0.00 178.44 177.93 1x4t n PRO 24 N -5.07 0.13 -0.03 5.25 -0.04 -1.26 -2.73 135.00 131.25 1x4t n PRO 24 Ca -0.08 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1x4t n PRO 24 Cb 0.08 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.37 0.73 -0.15 0.54 4.76 -0.85 -3.79 118.16 118.03 1x4t n LYS 25 Ca 0.06 0.23 -0.11 0.00 -2.87 0.00 0.00 58.31 55.62 1x4t n LYS 25 Cb 0.14 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.08 0.73 -0.83 7.82 0.00 -1.12 -2.56 119.26 123.38 1x4t h ALA 26 Ca -0.47 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1x4t h ALA 26 Cb 2.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1x4t h ALA 26 CO 0.04 0.67 0.38 0.93 0.00 0.00 0.00 179.25 181.26 1x4t h GLU 27 N 0.83 1.22 -0.45 0.00 5.08 -1.70 -0.36 114.58 119.19 1x4t h GLU 27 Ca 0.11 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1x4t h GLU 27 Cb 0.78 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1x4t h GLU 27 CO 0.06 0.95 0.08 -0.22 -1.00 0.00 0.00 179.01 178.89 1x4t h LYS 28 N 1.19 0.74 0.00 2.33 3.64 -1.63 -2.52 116.57 120.34 1x4t h LYS 28 Ca 0.28 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1x4t h LYS 28 Cb 0.16 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1x4t h LYS 28 CO -0.03 0.76 -0.11 -1.49 -2.27 0.00 0.00 179.45 176.31 1x4t h TRP 29 N 0.61 0.00 0.18 1.91 -0.00 -1.20 -2.90 115.95 114.56 1x4t h TRP 29 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1x4t h TRP 29 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 1x4t h TRP 29 CO 0.03 0.11 -0.09 -0.09 -0.00 0.00 0.00 178.44 178.40 1x4t h ARG 30 N 0.00 -0.24 -0.15 0.49 2.43 -0.63 -2.25 114.38 114.04 1x4t h ARG 30 Ca -0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1x4t h ARG 30 Cb 0.65 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1x4t h ARG 30 CO 0.01 0.10 -0.15 0.07 -1.51 0.00 0.00 179.97 178.49 1x4t h ARG 31 N -0.59 0.24 -0.50 0.20 0.11 -1.50 -2.13 114.38 110.20 1x4t h ARG 31 Ca -0.02 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 1x4t h ARG 31 Cb 0.44 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1x4t h ARG 31 CO 0.04 0.39 -0.01 0.37 0.10 0.00 0.00 179.97 180.86 1x4t h GLN 32 N 0.23 0.84 -0.12 0.08 5.75 -1.44 -2.87 115.11 117.58 1x4t h GLN 32 Ca 0.04 -0.24 -0.20 0.00 -0.15 0.00 0.00 58.65 58.10 1x4t h GLN 32 Cb 0.41 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1x4t h GLN 32 CO 0.02 0.85 -0.76 0.82 -2.65 0.00 0.00 178.83 177.12 1x4t h ILE 33 N 0.78 1.33 -0.36 2.39 2.04 -0.96 -3.24 117.51 119.49 1x4t h ILE 33 Ca 0.15 -2.06 0.06 0.00 1.00 0.00 0.00 64.86 64.01 1x4t h ILE 33 Cb 0.49 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 1x4t h ILE 33 CO 0.02 0.64 0.04 0.40 0.00 0.00 0.00 178.15 179.25 1x4t h ILE 34 N 0.41 0.78 -0.81 -0.67 2.04 -1.21 -1.48 117.51 116.58 1x4t h ILE 34 Ca -0.04 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1x4t h ILE 34 Cb 1.36 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1x4t h ILE 34 CO 0.14 0.03 0.53 1.23 0.00 0.00 0.00 178.15 180.08 1x4t h GLY 35 N 0.15 1.12 0.69 5.37 0.00 -1.56 -2.22 103.07 106.63 1x4t h GLY 35 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1x4t h GLY 35 CO -0.25 0.26 -0.14 0.83 0.00 0.00 0.00 176.54 177.24 1x4t h GLU 36 N 0.88 -0.38 -0.18 4.80 5.08 -1.34 -1.26 114.58 122.17 1x4t h GLU 36 Ca 0.35 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1x4t h GLU 36 Cb 0.23 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1x4t h GLU 36 CO -0.12 -0.07 -0.42 0.82 -1.00 0.00 0.00 179.01 178.22 1x4t h ILE 37 N -0.71 0.14 0.35 3.13 2.04 -1.05 -1.62 117.51 119.80 1x4t h ILE 37 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1x4t h ILE 37 Cb 0.49 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1x4t h ILE 37 CO 0.07 0.00 -0.35 -1.28 0.00 0.00 0.00 178.15 176.59 1x4t h SER 38 N -0.46 -0.93 -1.33 1.72 0.87 -1.46 0.24 113.55 112.19 1x4t h SER 38 Ca 0.09 0.08 0.42 0.00 -1.23 0.00 0.00 61.79 61.15 1x4t h SER 38 Cb 0.61 0.31 -0.12 0.00 -0.44 0.00 0.00 62.40 62.77 1x4t h SER 38 CO -0.43 -0.49 0.87 0.11 -0.53 0.00 0.00 176.83 176.37 1x4t h LYS 39 N -0.72 0.11 0.15 2.24 1.79 -0.86 0.40 116.57 119.67 1x4t h LYS 39 Ca -0.02 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.17 1x4t h LYS 39 Cb 0.65 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1x4t h LYS 39 CO -0.06 0.07 -1.29 0.87 -1.08 0.00 0.00 179.45 177.96 1x4t h LYS 40 N 0.11 0.31 -1.00 3.15 1.57 -0.39 -3.33 116.57 116.99 1x4t h LYS 40 Ca 0.79 -0.53 0.19 0.00 -1.87 0.00 0.00 60.65 59.22 1x4t h LYS 40 Cb 2.52 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 34.93 1x4t h LYS 40 CO -0.35 1.26 0.61 0.28 -0.57 0.00 0.00 179.45 180.68 1x4t h VAL 41 N -0.22 0.71 0.05 0.50 2.07 0.31 -1.25 116.25 118.41 1x4t h VAL 41 Ca -0.26 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1x4t h VAL 41 Cb 1.81 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1x4t h VAL 41 CO 0.12 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.82 1x4t h ALA 42 N 1.64 -0.07 -0.62 1.67 0.00 -1.27 -0.25 119.26 120.36 1x4t h ALA 42 Ca 0.57 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.59 1x4t h ALA 42 Cb 0.90 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1x4t h ALA 42 CO -0.36 -0.54 0.42 1.96 0.00 0.00 0.00 179.25 180.73 1x4t h GLN 43 N -0.08 0.31 -0.00 0.00 4.20 -1.35 -1.88 115.11 116.30 1x4t h GLN 43 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1x4t h GLN 43 Cb 0.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1x4t h GLN 43 CO 0.00 0.20 -0.04 0.82 -0.67 0.00 0.00 178.83 179.14 1x4t h ILE 44 N 0.32 1.57 -0.83 2.54 1.08 -0.93 -3.24 117.51 118.02 1x4t h ILE 44 Ca 0.29 -1.74 0.19 0.00 -0.39 0.00 0.00 64.86 63.21 1x4t h ILE 44 Cb 0.73 2.74 -0.05 0.00 -3.07 0.00 0.00 36.82 37.16 1x4t h ILE 44 CO -0.07 0.46 0.56 1.56 -0.69 0.00 0.00 178.15 179.96 1x4t h GLN 45 N -0.68 0.33 0.73 2.37 1.08 -0.43 -2.23 115.11 116.28 1x4t h GLN 45 Ca -0.00 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1x4t h GLN 45 Cb 0.77 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1x4t h GLN 45 CO 0.01 0.22 -0.47 -0.91 -0.95 0.00 0.00 178.83 176.72 1x4t h ASN 46 N 0.34 -1.20 -3.21 1.46 4.21 -1.39 -3.47 115.58 112.31 1x4t h ASN 46 Ca 0.42 0.07 -0.15 0.00 1.21 0.00 0.00 56.30 57.85 1x4t h ASN 46 Cb 1.11 0.36 0.06 0.00 -1.12 0.00 0.00 38.32 38.73 1x4t h ASN 46 CO -0.13 -0.72 -0.30 0.00 -1.29 0.00 0.00 177.43 175.00 1x4t n ALA 47 N -2.72 -0.66 -2.64 -0.83 0.00 -0.84 -4.97 120.51 107.86 1x4t n ALA 47 Ca -0.14 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1x4t n ALA 47 Cb 0.48 -2.04 0.05 0.00 0.00 0.00 0.00 19.45 17.95 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.10 1.59 0.00 0.00 0.00 -1.26 -4.87 105.19 99.55 1x4t n GLY 48 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -0.63 0.00 0.00 0.99 4.77 -1.26 -5.13 117.00 115.74 1x4t n LEU 49 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1x4t n LEU 49 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1x4t n LEU 49 CO -0.04 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1x4t n GLY 50 N 2.43 3.10 0.21 -0.72 0.00 -1.26 -4.63 105.19 104.31 1x4t n GLY 50 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N 0.80 -0.22 -0.29 1.61 1.02 -1.26 0.11 120.64 122.42 1x4t n GLU 51 Ca 0.00 1.05 0.18 0.00 -0.02 0.00 0.00 57.16 58.37 1x4t n GLU 51 Cb 0.00 -1.55 0.35 0.00 -0.02 0.00 0.00 31.44 30.22 1x4t n GLU 51 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1x4t n PHE 52 N -4.15 0.72 0.23 -0.32 3.01 -1.26 -0.60 117.46 115.10 1x4t n PHE 52 Ca 0.01 1.02 -0.10 0.00 1.01 0.00 0.00 57.45 59.40 1x4t n PHE 52 Cb 0.13 -1.25 -0.05 0.00 -0.01 0.00 0.00 39.48 38.30 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x4t h ARG 53 N 0.00 -0.62 -1.00 -1.08 2.47 0.50 -2.23 114.38 112.42 1x4t h ARG 53 Ca 0.60 0.04 0.36 0.00 -1.26 0.00 0.00 59.98 59.72 1x4t h ARG 53 Cb 1.40 0.14 -0.16 0.00 -1.65 0.00 0.00 29.97 29.70 1x4t h ARG 53 CO -0.75 -0.41 0.52 0.82 0.56 0.00 0.00 179.97 180.71 1x4t h ILE 54 N -1.15 0.16 0.39 2.04 5.03 0.51 0.12 117.51 124.60 1x4t h ILE 54 Ca -0.07 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.60 1x4t h ILE 54 Cb 0.49 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 1x4t h ILE 54 CO 0.11 0.03 -0.19 0.03 -0.68 0.00 0.00 178.15 177.45 1x4t h ARG 55 N 0.17 -0.50 -0.77 2.37 2.47 -0.95 0.80 114.38 117.97 1x4t h ARG 55 Ca 0.77 0.03 0.22 0.00 -1.26 0.00 0.00 59.98 59.75 1x4t h ARG 55 Cb 1.88 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 30.29 1x4t h ARG 55 CO -0.69 -0.19 0.57 0.22 0.56 0.00 0.00 179.97 180.44 1x4t h ASP 56 N -0.95 0.00 0.00 7.04 1.82 -0.31 0.42 116.42 124.44 1x4t h ASP 56 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1x4t h ASP 56 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1x4t h ASP 56 CO 0.09 0.00 -0.06 -0.07 -1.61 0.00 0.00 179.24 177.59 1x4t h LEU 57 N 0.00 0.00 -2.20 2.28 3.38 -0.79 -3.24 115.31 114.75 1x4t h LEU 57 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1x4t h LEU 57 Cb 1.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1x4t h LEU 57 CO -0.00 0.35 0.27 -0.55 0.09 0.00 0.00 178.44 178.59 1x4t h ASN 58 N -0.64 0.00 -0.22 -0.43 7.08 -0.54 0.76 115.58 121.59 1x4t h ASN 58 Ca 0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.03 1x4t h ASN 58 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 1x4t h ASN 58 CO 0.00 0.00 -0.61 -0.78 -2.08 0.00 0.00 177.43 173.96 1x4t h ASP 59 N 0.00 0.92 0.38 6.14 3.58 -0.28 -3.25 116.42 123.91 1x4t h ASP 59 Ca 0.02 -0.58 -0.24 0.00 0.42 0.00 0.00 57.03 56.66 1x4t h ASP 59 Cb 0.56 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1x4t h ASP 59 CO -0.00 1.34 -1.02 -0.33 -2.88 0.00 0.00 179.24 176.35 1x4t h GLU 60 N 0.56 0.39 -0.53 0.28 4.39 -0.90 -3.32 114.58 115.45 1x4t h GLU 60 Ca -0.01 -0.47 0.05 0.00 0.34 0.00 0.00 59.36 59.27 1x4t h GLU 60 Cb 1.23 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.95 1x4t h GLU 60 CO 0.13 1.14 -0.48 0.82 -1.16 0.00 0.00 179.01 179.47 1x4t h ILE 61 N 0.20 0.00 -0.79 3.13 1.08 -1.36 0.27 117.51 120.04 1x4t h ILE 61 Ca -0.10 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 1x4t h ILE 61 Cb 1.67 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.33 1x4t h ILE 61 CO 0.18 0.00 0.36 0.78 -0.69 0.00 0.00 178.15 178.77 1x4t h ASN 62 N -0.21 0.38 -0.88 1.72 2.35 -1.69 0.96 115.58 118.23 1x4t h ASN 62 Ca 0.09 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1x4t h ASN 62 Cb 0.44 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1x4t h ASN 62 CO -0.61 0.15 0.57 0.11 -1.65 0.00 0.00 177.43 176.01 1x4t h LYS 63 N 0.52 1.16 -0.22 0.81 1.79 -0.93 -1.43 116.57 118.26 1x4t h LYS 63 Ca 0.43 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.65 1x4t h LYS 63 Cb 0.63 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1x4t h LYS 63 CO -0.38 0.77 -0.59 -0.07 -1.08 0.00 0.00 179.45 178.10 1x4t h LEU 64 N 1.19 0.80 0.39 2.94 3.38 0.16 -3.17 115.31 121.00 1x4t h LEU 64 Ca 0.32 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1x4t h LEU 64 Cb -0.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1x4t h LEU 64 CO -0.07 1.20 -0.19 0.25 0.09 0.00 0.00 178.44 179.73 1x4t h LEU 65 N 0.53 -0.44 -0.90 1.67 5.85 -0.38 -2.85 115.31 118.79 1x4t h LEU 65 Ca 0.00 -0.04 0.24 0.00 0.84 0.00 0.00 57.88 58.92 1x4t h LEU 65 Cb 1.17 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.18 1x4t h LEU 65 CO 0.12 -0.25 0.36 0.03 -0.34 0.00 0.00 178.44 178.36 1x4t h ARG 66 N -0.61 0.32 -0.61 1.25 3.08 -1.34 0.22 114.38 116.68 1x4t h ARG 66 Ca -0.05 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.05 1x4t h ARG 66 Cb 0.45 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1x4t h ARG 66 CO 0.09 0.21 0.30 1.49 -1.07 0.00 0.00 179.97 180.98 1x4t h GLU 67 N 0.32 0.53 -0.72 0.04 4.57 -1.48 -1.91 114.58 115.93 1x4t h GLU 67 Ca 0.58 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.74 1x4t h GLU 67 Cb 1.16 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 1x4t h GLU 67 CO -0.58 0.35 0.48 -0.22 -1.18 0.00 0.00 179.01 177.86 1x4t h LYS 68 N 0.55 0.94 -0.58 1.92 3.64 -0.46 -1.34 116.57 121.24 1x4t h LYS 68 Ca 0.28 -0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.77 1x4t h LYS 68 Cb 0.24 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1x4t h LYS 68 CO -0.22 0.62 0.41 0.78 -2.27 0.00 0.00 179.45 178.78 1x4t h GLY 69 N 0.97 0.09 1.16 5.01 0.00 -0.83 0.71 103.07 110.18 1x4t h GLY 69 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.41 1x4t h GLY 69 CO -0.07 0.01 -1.27 0.45 0.00 0.00 0.00 176.54 175.66 1x4t h HIS 70 N 0.06 0.00 0.00 5.60 3.86 -1.18 -3.29 115.15 120.20 1x4t h HIS 70 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1x4t h HIS 70 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1x4t h HIS 70 CO -0.00 0.59 -0.19 -1.49 0.86 0.00 0.00 177.93 177.70 1x4t h TRP 71 N 0.00 0.00 -0.68 2.45 4.06 0.13 -2.77 115.95 119.14 1x4t h TRP 71 Ca -0.14 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.01 1x4t h TRP 71 Cb 1.57 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.70 1x4t h TRP 71 CO 0.00 0.00 0.73 0.93 -3.56 0.00 0.00 178.44 176.54 1x4t h GLU 72 N -0.66 0.00 0.03 0.49 5.08 0.09 0.77 114.58 120.39 1x4t h GLU 72 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1x4t h GLU 72 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1x4t h GLU 72 CO 0.00 0.00 -1.53 -0.24 -1.00 0.00 0.00 179.01 176.24 1x4t h VAL 73 N 0.00 1.09 -0.04 3.13 3.04 -1.69 -3.14 116.25 118.64 1x4t h VAL 73 Ca 0.32 -2.86 -0.13 0.00 -1.01 0.00 0.00 66.70 63.02 1x4t h VAL 73 Cb 1.78 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 33.63 1x4t h VAL 73 CO -0.00 0.69 -0.56 -0.09 -1.01 0.00 0.00 177.57 176.59 1x4t h ARG 74 N 0.02 0.11 0.00 4.17 9.65 0.80 -2.61 114.38 126.52 1x4t h ARG 74 Ca -0.22 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1x4t h ARG 74 Cb 1.96 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 30.55 1x4t h ARG 74 CO 0.11 0.64 -0.02 0.82 2.80 0.00 0.00 179.97 184.32 1x4t h ILE 75 N 0.08 0.09 0.00 1.20 2.04 -1.27 -2.18 117.51 117.47 1x4t h ILE 75 Ca -0.00 -0.26 -0.27 0.00 1.00 0.00 0.00 64.86 65.33 1x4t h ILE 75 Cb 1.02 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1x4t h ILE 75 CO 0.08 0.02 -1.46 1.17 0.00 0.00 0.00 178.15 177.96 1x4t n LYS 76 N -3.18 0.57 0.25 2.37 4.81 -1.06 0.67 118.16 122.59 1x4t n LYS 76 Ca -0.02 0.53 0.18 0.00 -0.87 0.00 0.00 58.31 58.13 1x4t n LYS 76 Cb 0.18 -1.71 0.89 0.00 0.02 0.00 0.00 35.03 34.41 1x4t n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x4t h GLU 77 N -1.00 0.00 0.00 1.64 5.08 -1.37 0.13 114.58 119.06 1x4t h GLU 77 Ca -0.40 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.74 1x4t h GLU 77 Cb 1.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1x4t h GLU 77 CO -0.24 0.00 -1.12 -0.07 -1.00 0.00 0.00 179.01 176.57 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 3.38 -1.55 -3.47 115.31 114.99 1x4t h LEU 78 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x4t h LEU 78 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x4t h LEU 78 CO -0.00 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1x4t n GLY 79 N 1.38 0.76 0.00 0.83 0.00 0.46 -4.98 105.19 103.65 1x4t n GLY 79 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 2.29 3.75 -0.02 0.00 0.21 -4.99 105.19 106.43 1x4t n GLY 80 Ca 0.00 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.12 4.43 -0.43 1.61 0.04 -1.24 -4.32 135.00 137.22 1x4t s PRO 81 Ca 0.00 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 1x4t s PRO 81 Cb 0.00 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.40 1x4t s PRO 81 CO 0.00 -0.15 0.71 0.16 0.04 0.00 0.00 177.00 177.76 1x4t s ASP 82 N -0.12 6.39 -0.02 6.66 1.47 -1.26 -3.85 116.67 125.93 1x4t s ASP 82 Ca 0.52 -0.14 0.19 0.00 1.18 0.00 0.00 52.55 54.30 1x4t s ASP 82 Cb -0.36 -2.35 -0.28 0.00 -0.34 0.00 0.00 42.92 39.58 1x4t s ASP 82 CO 0.43 -0.81 0.48 -1.22 0.68 0.00 0.00 175.17 174.73 1x4t n TYR 83 N 6.44 0.00 -0.11 2.11 4.01 -1.19 -4.52 117.16 123.90 1x4t n TYR 83 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1x4t n TYR 83 Cb 0.48 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 1x4t n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4t n GLY 84 N 1.42 -0.60 0.30 2.72 0.00 -1.22 -3.51 105.19 104.30 1x4t n GLY 84 Ca -0.02 -0.15 0.30 0.00 0.00 0.00 0.00 46.02 46.14 1x4t n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4t n LYS 85 N -4.38 -0.06 0.08 1.61 4.81 -1.26 0.83 118.16 119.79 1x4t n LYS 85 Ca -0.34 1.30 -0.21 0.00 -0.87 0.00 0.00 58.31 58.18 1x4t n LYS 85 Cb 0.68 -2.32 -0.15 0.00 0.02 0.00 0.00 35.03 33.26 1x4t n LYS 85 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1x4t h VAL 86 N 0.00 1.45 -3.06 3.15 -1.51 -1.79 -3.45 116.25 111.04 1x4t h VAL 86 Ca 0.79 -2.58 -0.54 0.00 -1.23 0.00 0.00 66.70 63.14 1x4t h VAL 86 Cb 2.08 3.15 0.00 0.00 -2.13 0.00 0.00 31.29 34.40 1x4t h VAL 86 CO -0.73 0.74 0.69 -0.44 -1.23 0.00 0.00 177.57 176.60 1x4t s SER 87 N -7.14 6.96 0.00 4.19 0.01 0.24 -4.89 113.70 113.06 1x4t s SER 87 Ca -0.12 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1x4t s SER 87 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x4t s SER 87 CO 0.86 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1x4t n GLY 88 N 3.41 4.32 3.61 3.44 0.00 -1.26 -4.80 105.19 113.91 1x4t n GLY 88 Ca 0.11 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1x4t n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 89 N -4.17 3.57 1.07 1.61 0.04 -1.26 -4.98 135.00 130.88 1x4t s PRO 89 Ca 0.00 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1x4t s PRO 89 Cb 0.00 -4.10 0.08 0.00 0.04 0.00 0.00 34.50 30.52 1x4t s PRO 89 CO 0.00 -1.57 -0.15 0.43 0.04 0.00 0.00 177.00 175.75 1x4t n SER 90 N 9.26 -2.63 -3.68 6.66 7.64 -1.26 -5.04 113.62 124.57 1x4t n SER 90 Ca 0.20 -0.18 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 1x4t n SER 90 Cb 0.46 -0.83 -0.09 0.00 -1.01 0.00 0.00 64.21 62.74 1x4t n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4t s SER 91 N -1.75 -0.66 0.00 6.43 0.01 -1.26 -5.30 113.70 111.17 1x4t s SER 91 Ca 0.48 1.15 0.25 0.00 1.31 0.00 0.00 55.95 59.14 1x4t s SER 91 Cb -0.07 1.08 0.48 0.00 0.21 0.00 0.00 66.02 67.72 1x4t s SER 91 CO 0.57 -0.21 1.43 0.61 0.41 0.00 0.00 173.24 176.05